Spin transition in LaCoO3 investigated by resonant soft X-ray emission spectroscopy

The spin transition in LaCoO3 is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the Co 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature-induced spin state of the Co3+ ions in LaCoO3 than other high-energy spectroscopic methods. The spin transition is interpreted and discussed with ab initio density-functional theory within the fixed-spin moment method, which is found to yield consistent spectral functions to the experimental data. The spectral changes for LaCoO3 as a function of temperature suggest a change in spin state as the temperature is raised from 85 to 300 K, while the system remains in the same spin state as the temperature is further increased to 510 K